Found 1 result

Search term: HUZWRILIHNBINL-HNXYLICVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (4aR,6R,8aS)-8a-(2,4-Difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine | C14H15F3N2OS

(4aR,6R,8aS)-8a-(2,4-Difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine

  • Molecular FormulaC14H15F3N2OS
  • Average mass316.342 Da
  • Monoisotopic mass316.085724 Da
  • ChemSpider ID35035314

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4aR,6R,8aS)-8a-(2,4-Difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine [ACD/IUPAC Name]
(4aR,6R,8aS)-8a-(2,4-Difluorophényl)-6-(fluorométhyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine [French] [ACD/IUPAC Name]
(4aR,6R,8aS)-8a-(2,4-Difluorphenyl)-6-(fluormethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amin [German] [ACD/IUPAC Name]
Pyrano[3,4-d][1,3]thiazin-2-amine, 8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydro-, (4aR,6R,8aS)- [ACD/Index Name]
3VP

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 439.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.6±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 73.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.60
ACD/KOC (pH 5.5): 287.56
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.89
ACD/KOC (pH 7.4): 306.46
Polar Surface Area: 73 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 209.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement